NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4516 8.2893 120.3478 55.1789 32.7278 175.0184 2 V 3.4890 8.5253 127.3883 62.8762 31.7336 174.6145 3 I 4.3996 7.9008 121.6493 58.7977 40.5785 175.5405 4 A 4.5643 9.5829 132.1645 50.8933 20.7767 177.8463 5 T 3.8685 8.4314 115.4712 67.1884 68.1660 176.5143 6 D 4.9456 7.8363 119.3489 55.8954 41.0373 177.7742 7 D 4.4839 7.8624 119.1365 56.2209 41.0453 177.6575 8 L 4.3770 7.6232 118.5884 54.9826 42.7004 175.8750 9 E 5.0682 8.2568 117.7377 54.3794 33.3528 175.2087 10 V 4.4005 8.9157 123.5013 60.8227 33.8429 174.8934 11 A 4.3120 8.5263 129.4612 51.9943 19.2483 176.7406 12 C 4.2993 8.6075 123.5456 58.9886 32.1156 172.9077 13 P 4.8275 0.0000 0.0000 64.0239 31.7607 177.2952 14 K 4.1390 8.0738 119.9610 58.2786 32.5648 176.6746 15 C 4.6573 7.8393 109.9516 56.8703 31.2087 173.0860 16 E 3.9879 9.0473 119.8752 57.9403 26.8830 176.2682 17 R 4.2540 7.9069 112.7841 56.5586 28.3072 177.8559 18 A 4.0731 8.0524 122.2783 53.0571 19.0606 179.5276 19 G 4.0292 9.6725 102.8106 46.4085 0.0000 172.5695 20 E 5.0012 7.6240 116.4032 54.7038 32.6530 174.2083 21 I 4.4294 8.4473 122.1248 60.7190 38.4249 176.2916 22 E 3.8903 9.2853 123.8507 56.3392 26.9593 174.7568 23 G 4.1547 8.2608 107.5817 45.7339 0.0000 174.7576 24 T 4.3368 7.7119 116.3431 61.2970 69.5673 172.3975 25 P 4.2659 0.0000 0.0000 63.4098 31.6321 175.3740 26 C 4.2247 8.6493 122.3062 58.7028 31.3693 172.2384 27 P 4.3782 0.0000 0.0000 64.7193 31.4163 178.1033 28 A 4.0992 8.1164 121.2008 54.9933 18.7930 178.0250 29 C 4.4559 8.0325 107.8928 56.9930 30.6468 173.3935 30 S 3.6743 8.8329 113.3645 59.5745 60.3368 172.1542 31 G 4.4208 7.8874 109.9045 45.7839 0.0000 174.5544 32 K 3.9793 7.7617 118.1266 57.3647 32.4661 178.4412 33 G 3.9894 9.3320 106.0457 45.2887 0.0000 172.6503 34 V 4.8844 7.2339 116.8402 60.2353 34.6098 173.8512 35 I 4.5719 9.0177 122.8059 59.4698 40.3309 175.0875 36 L 4.5566 8.2726 126.2868 54.6602 42.7046 176.8791 37 T 4.3321 8.3463 113.0062 60.5171 71.1694 175.4842 38 A 4.1001 8.7640 122.2883 55.5273 18.2085 179.3114 39 Q 4.0030 8.1828 117.5099 59.3221 29.1344 178.5999 40 G 3.5805 7.8330 106.0491 48.1353 0.0000 175.0095 41 Y 4.4548 8.0407 119.7715 61.1098 37.8788 178.9102 42 T 3.9493 8.2472 116.5466 66.9157 68.6452 176.5118 43 L 4.0789 7.9798 120.6125 57.7791 41.5486 179.5356 44 L 4.0319 8.0856 120.2651 58.1771 42.0216 178.7518 45 D 4.3634 8.6073 119.2667 57.2804 40.8790 178.1781 46 F 4.1737 8.4109 121.1893 61.6774 39.2770 177.3161 47 I 3.5350 7.8973 119.0167 64.4539 36.7350 178.3183 48 Q 3.9584 8.1551 119.3690 58.9482 28.8737 177.9079 49 K 4.0532 8.1401 120.3191 58.8007 32.6950 177.0563 50 H 4.5292 7.7604 114.4080 55.7366 30.6988 174.3792 51 L 4.1103 7.9448 122.0776 56.4055 42.0978 175.9876 52 N 4.2598 8.8632 121.6052 54.1514 36.3650 174.3265 53 K 4.1590 7.8172 122.4091 56.6056 32.6199 176.1360 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.29 4.45 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.63 0.00 2 V 8.53 3.49 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.92 0.00 0.00 3 I 7.90 4.40 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.90 0.00 0.00 4 A 9.58 4.56 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.43 3.87 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 6 D 7.84 4.95 0.00 2.63 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.86 4.48 0.00 2.84 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.62 4.38 0.00 1.81 1.65 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.26 5.07 0.00 1.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 10 V 8.92 4.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 11 A 8.53 4.31 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.61 4.30 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.83 0.00 2.22 2.16 0.00 3.41 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 14 K 8.07 4.14 0.00 1.72 1.87 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.48 7.81 15 C 7.84 4.66 0.00 3.09 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.05 3.99 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 17 R 7.91 4.25 0.00 1.98 2.10 0.00 3.19 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 18 A 8.05 4.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 9.67 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.62 5.00 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 21 I 8.45 4.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.74 0.91 0.00 0.00 22 E 9.29 3.89 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 23 G 8.26 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.71 4.34 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 25 P 0.00 4.27 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 26 C 8.65 4.22 0.00 3.05 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.38 0.00 2.08 2.10 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 28 A 8.12 4.10 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.03 4.46 0.00 3.29 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.83 3.67 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.89 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.76 3.98 0.00 1.95 1.87 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.53 7.81 33 G 9.33 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.23 4.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 1.00 0.00 0.00 35 I 9.02 4.57 1.84 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.93 0.89 0.00 0.00 36 L 8.27 4.56 0.00 0.38 0.97 0.63 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.35 4.33 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 38 A 8.76 4.10 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.18 4.00 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 40 G 7.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.04 4.45 0.00 3.31 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.25 3.95 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 43 L 7.98 4.08 0.00 1.92 1.77 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.09 4.03 0.00 2.04 1.89 0.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.61 4.36 0.00 3.04 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.41 4.17 0.00 3.20 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.90 3.53 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.92 0.92 0.00 0.00 48 Q 8.16 3.96 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.00 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 49 K 8.14 4.05 0.00 1.87 2.02 0.00 1.85 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.27 1.41 7.81 50 H 7.76 4.53 0.00 2.76 3.06 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.94 4.11 0.00 1.61 1.61 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.86 4.26 0.00 2.87 2.85 0.00 0.00 6.87 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 7.82 4.16 0.00 1.82 1.59 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.49 7.81